3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one

C17H28N2OS — CID 104830751

IUPAC3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(C)s2)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H28N2OS/c1-8-17(7)15(20)19(12(3)16(4,5)6)14(18-17)13-10-9-11(2)21-13/h9-10,12,14,18H,8H2,1-7H3
InChIKeyFVFXYVLPUBDIQV-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.09
Rot. Bonds3

About 3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one

3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (PubChem CID 104830751) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
PubChem CID104830751
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
SMILESCCC1(C)NC(c2ccc(C)s2)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H28N2OS/c1-8-17(7)15(20)19(12(3)16(4,5)6)14(18-17)13-10-9-11(2)21-13/h9-10,12,14,18H,8H2,1-7H3
InChIKeyFVFXYVLPUBDIQV-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(4-methoxybutan-2-yl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83268226
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767642
5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-3-(3,3,3-trifluoropropyl)imidazolidin-4-one
CID 83248709
3-cyclopentyl-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83243192
6-butan-2-yl-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83238940
5-ethyl-3-(3-methoxypropyl)-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one
CID 83244554
5-(5-methylthiophen-2-yl)-6-(2,3,3-trimethylbutyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267284
5-ethyl-2-(4-fluorophenyl)-5-methyl-3-(3-methylbutan-2-yl)imidazolidin-4-one
CID 83248492
1-(3,3-dimethylbutan-2-yl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 104830230
6-(1-methoxy-3-methylbutan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83267196
3-butan-2-yl-2-(2,5-dimethylphenyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83225204
5-methyl-2-(5-methylthiophen-2-yl)-3-pentan-3-ylimidazolidin-4-one
CID 83242674

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one (CID 104830751) is 3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is CCC1(C)NC(c2ccc(C)s2)N(C(C)C(C)(C)C)C1=O.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
The InChIKey is FVFXYVLPUBDIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-8-17(7)15(20)19(12(3)16(4,5)6)14(18-17)13-10-9-11(2)21-13/h9-10,12,14,18H,8H2,1-7H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one?
3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one has a molecular weight of 308.49 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-5-ethyl-5-methyl-2-(5-methylthiophen-2-yl)imidazolidin-4-one is sourced from PubChem (CID 104830751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).